SCHEMBL7349909

SCHEMBL7349909

OCCCCC(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 5/20 0.57
TSHR P16473 1/20 0.56
IGF1R P08069 1/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GFER P55789 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7295689 0.87 ADRA2A (0.64) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL27394551 0.85 ADRA2A (0.66) ADRA2AADRA2BADRA2CKMT2AMEN1
Levodropropizine SCHEMBL29043 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL8379428 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL93975 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL7298012 0.82 KDM4E (0.57) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL16142173 0.82 ADRA2A (0.69) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL27495915 0.81 ADRA2A (0.97) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL7357510 0.81 KDM4E (0.56) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL10153128 0.78 ADRA2A (0.73) ADRA2AADRA2BADRA2CKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed